SCHEMBL3232102

SCHEMBL3232102

COC(=O)CNCc1cc2c(cc1O)OCC(c1ccc(O)cc1)=C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR1H4 Q96RI1 1/20 0.35
EGFR P00533 1/20 0.34
RARA P10276 4/20 0.34
RARG P13631 4/20 0.34
MTNR1A P48039 2/20 0.34
RARB P10826 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10073585 0.91 MIF (0.37) MIFHDAC6EGFRRARARARG
SCHEMBL2755025 0.75 KDM4E (0.42) NR1H4RARARARGRARBMEN1
SCHEMBL677785 0.73 ESR2 (0.42) NR1H4RARARARGRARBESR1
SCHEMBL4408650 0.73 RARA (0.40) HDAC6NR1H4RARARARGRARB
SCHEMBL2755028 0.72 TYR (0.34) NR1H4RARARARGRARBMEN1
SCHEMBL2755032 0.69 ALOX5 (0.40) NR1H4MTNR1AMEN1KMT2AMAPT
SCHEMBL5962012 0.68 ALOX12 (0.45) NR1H4RARARARGMTNR1ARARB
SCHEMBL2755031 0.67 CYP1A2 (0.43) PDCD1CD274
Idronoxil SCHEMBL149612 0.66 ESR2 (0.49) MIFNR1H4RARARARGRARB
Idronoxil SCHEMBL29353213 0.66 ESR2 (0.49) MIFNR1H4RARARARGRARB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120003270-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF MARSHALL EDWARDS, INC. 2012-01-05 US disclosed
WO-2010012037-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2010-02-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120003270-A1 6-SUBSTITUTED ISOFLAVONOID COMPOUNDS AND USES THEREOF UGT1A6, CYP19A1, HSD17B11 MIF 2077/4885HDAC6 1560/4885NR1H4 365/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.